LMPK12113128 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 12.2943 8.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2943 7.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1578 7.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0213 7.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0213 8.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1578 9.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8848 7.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7483 7.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7483 8.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8848 9.3516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8848 6.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8358 9.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7158 9.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5958 9.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5958 10.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7158 11.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8358 10.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1578 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5377 11.1037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6227 7.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4482 9.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1578 10.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1367 12.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4031 13.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6749 12.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4030 10.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9120 10.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2726 10.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2726 11.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4030 12.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 11.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 10.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6749 10.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8991 12.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8974 12.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9133 10.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4168 10.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9135 10.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4070 11.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4037 11.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9118 10.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4183 10.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9263 9.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 1 21 1 0 0 0 0 6 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 42 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 1 0 0 38 27 1 6 0 0 39 34 1 1 0 0 40 35 1 1 0 0 41 36 1 6 0 0 28 22 1 6 0 0 M END > LMPK12113128 > Herbacetin 8-rutinoside > > C27H30O16 > 610.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > WLDJEBUQUVPSJK-YKGJKWNLSA-N > InChI=1S/C27H30O16/c1-8-15(31)18(34)21(37)26(40-8)39-7-13-16(32)19(35)22(38)27(41-13)43-24-12(30)6-11(29)14-17(33)20(36)23(42-25(14)24)9-2-4-10(28)5-3-9/h2-6,8,13,15-16,18-19,21-22,26-32,34-38H,7H2,1H3/t8-,13+,15-,16+,18+,19-,21+,22+,26+,27-/m0/s1 > C1(O)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)C2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 102148709 > - > - > - > - > - > 33090 > - $$$$